SCHEMBL13644497

SCHEMBL13644497

CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccccc5C#N)c5ccccc5c4n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
NR3C1 P04150 1/20 0.34
EIF4E P06730 1/20 0.34
PIM1 P11309 1/20 0.33
TGFBR1 P36897 1/20 0.33
XDH P47989 1/20 0.33
PDK2 Q15119 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13642832 1.00 ALOX5AP (0.37) ALOX5APFEN1TRPA1ALDH1A1CYP1A2
SCHEMBL13084041 0.93 ALOX5AP (0.38) ALOX5APFEN1TRPA1ALDH1A1CYP1A2
SCHEMBL13083995 0.89 PDK2 (0.42) PIM1PDK2GRM2
SCHEMBL13084048 0.89 PDK2 (0.42) PIM1PDK2GRM2
SCHEMBL13083962 0.88 PDK2 (0.44) PIM1PDK2CYP11B2GABRG2GABRB3
SCHEMBL13083991 0.88 PDK2 (0.44) PIM1PDK2CYP11B2GABRG2GABRB3
SCHEMBL13642974 0.88 PDK2 (0.43) PDK2GABRG2GABRB3GABRA5GABRA3
SCHEMBL13642977 0.87 PDK2 (0.47) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL13642833 0.87 PDK2 (0.47) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1
SCHEMBL13644493 0.87 PDK2 (0.47) ALDH1A1CYP1A2CYP3A4HSD17B10MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796917-B2 Compound for an organic optoelectronic device, organic light emitting diode including the same, and display including the organic light emitting diode CHEIL INDUSTRIES, INC (KR) 2014-08-05 US disclosed
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120280613-A1 COMPOUND FOR AN ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME, AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, OR10J3 ALOX5AP 1245/4885FEN1 1890/4885TRPA1 22/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.